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General Questions and Answers / Energy diagram
« on: April 28, 2015, 11:00 »
Why we give charge from -2 to +2 to the molecule please explain, What information we get form the Total energy diagram?
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General Questions and Answers / charge to the molecule
« on: April 22, 2015, 17:28 »
Why we give charge from +2 to -2 only? why not above or below it?
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General Questions and Answers / Optimization of benzene molecule
« on: August 30, 2014, 10:45 »
how to optimize benzene molecule if change something in it
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General Questions and Answers / Re: thanks
« on: August 23, 2014, 08:42 »
thanku sir ,I m able to do it.
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General Questions and Answers / Re: single electron transistor: global name 'numpy' is not defined
« on: August 22, 2014, 08:25 »
what to do i got this message after running the script
+------------------------------------------------------------------------------+
| NanoLanguageScript execution started |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| |
| Atomistix ToolKit 11.2.2 [Build 3069] |
| |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
File "c:\users\lenovo\appdata\local\temp\5292828328785301.py", line 3, in <module>
from readTotalEnergy import readTotalEnergy
File "C:\Program Files (x86)\QuantumWise\atk-11.2.2\atkpython\lib\site-packages\readTotalEnergy.py", line 1
Import numpy
^
SyntaxError: invalid syntax
NanoLanguageScript execution failure
+------------------------------------------------------------------------------+
| NanoLanguageScript execution finished |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| NanoLanguageScript execution started |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| |
| Atomistix ToolKit 11.2.2 [Build 3069] |
| |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
File "c:\users\lenovo\appdata\local\temp\5292828328785301.py", line 3, in <module>
from readTotalEnergy import readTotalEnergy
File "C:\Program Files (x86)\QuantumWise\atk-11.2.2\atkpython\lib\site-packages\readTotalEnergy.py", line 1
Import numpy
^
SyntaxError: invalid syntax
NanoLanguageScript execution failure
+------------------------------------------------------------------------------+
| NanoLanguageScript execution finished |
+------------------------------------------------------------------------------+
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